1-(3-carboxypropyl)-N,N,11,11-tetramethyl-1,2,3,4,9,11-hexahydro-1-azatetracen-9-iminium perchlorate

• ChemBase编号: 155865
• 分子式: C25H31ClN2O6
• 平均质量: 490.97644
• 单一同位素质量: 490.1870644
• SMILES: CC1(c2cc3c(cc2C=C2C1=CC(=[N+](C)C)C=C2)CCCN3CCCC(=O)O)C.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.OC(=O)CCCN1CCCc2c1cc1c(c2)C=C2C(=CC(=[N+](C)C)C=C2)C1(C)C
• InChI: InChI=1S/C25H30N2O2.ClHO4/c1-25(2)21-15-20(26(3)4)10-9-17(21)13-19-14-18-7-5-11-27(12-6-8-24(28)29)23(18)16-22(19)25;2-1(3,4)5/h9-10,13-16H,5-8,11-12H2,1-4H3;(H,2,3,4,5)
• InChIKey: SLQQGEVQWLDVDF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(3-carboxypropyl)-N,N,11,11-tetramethyl-1,2,3,4,9,11-hexahydro-1-azatetracen-9-iminium perchlorate
• IUPAC传统名: 1-(3-carboxypropyl)-N,N,11,11-tetramethyl-3,4-dihydro-2H-1-azatetracen-9-iminium perchlorate
• 别名: Atto 610

登记号

• MDL号: MFCD03456134
• PubChem SID: 162250003; 24887316
• PubChem CID: 16218546

理论计算性质

• Acid pKa: 4.2340593
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.322916
• LogD (pH = 7.4): 1.5449106
• Log P: 1.0253751
• 摩尔折射率: 133.4159 cm^3
• 极化性: 45.072327 Å^3
• 极化表面积: 43.55 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 荧光: λex 610 nm; λem 635 nm in 0.1 M phosphate pH 7.0

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥85.0% (HPCE/HPLC)
• 适用性: suitable for fluorescence
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C25H31ClN2O6

详细说明

Sigma Aldrich - 78493

Application
Atto labels are designed for highest sensitivity applications. A unique combination of advantages makes them highly favorable tools for all kinds of labeling applications. And some of their properties make them specifically interesting for single molecule detection. Atto labels are based on rigid structures and do not show any cis-trans-isomerization, which lowers brightness of signals and leads to environment dependency, e.g., spectral shifts by conjugation. Atto 610 shows an molar extinction of 110,000 and QY of 70% in water (70% in ethanol). Decay time is 3.3 ns.